9-[(4-methoxyphenyl)methylidene]-2,4,5,7-tetranitrofluorene

C21H12N4O9 — CID 2775527

IUPAC9-[(4-methoxyphenyl)methylidene]-2,4,5,7-tetranitrofluorene
SMILESCOc1ccc(C=C2c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])cc1
InChIInChI=1S/C21H12N4O9/c1-34-14-4-2-11(3-5-14)6-15-16-7-12(22(26)27)9-18(24(30)31)20(16)21-17(15)8-13(23(28)29)10-19(21)25(32)33/h2-10H,1H3
InChIKeyMXXSUVHJNGTHQX-UHFFFAOYSA-N
MW464.35 g/mol
LogP4.90
Rot. Bonds6

About 9-[(4-methoxyphenyl)methylidene]-2,4,5,7-tetranitrofluorene

9-[(4-methoxyphenyl)methylidene]-2,4,5,7-tetranitrofluorene (PubChem CID 2775527) has the molecular formula C21H12N4O9 and a molecular weight of 464.35 g/mol. Its IUPAC name is 9-[(4-methoxyphenyl)methylidene]-2,4,5,7-tetranitrofluorene.

Molecular Properties

Compound Name9-[(4-methoxyphenyl)methylidene]-2,4,5,7-tetranitrofluorene
PubChem CID2775527
Molecular FormulaC21H12N4O9
Molecular Weight464.35 g/mol
Exact Mass464.06
IUPAC Name9-[(4-methoxyphenyl)methylidene]-2,4,5,7-tetranitrofluorene
SMILESCOc1ccc(C=C2c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])cc1
InChIInChI=1S/C21H12N4O9/c1-34-14-4-2-11(3-5-14)6-15-16-7-12(22(26)27)9-18(24(30)31)20(16)21-17(15)8-13(23(28)29)10-19(21)25(32)33/h2-10H,1H3
InChIKeyMXXSUVHJNGTHQX-UHFFFAOYSA-N
XLogP4.90
TPSA181.79 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.35
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

9-[(4-methoxyphenyl)methylidene]-2,5,7-trinitrofluorene-4-carboxylic acid
CID 3114970
9-[(4-bromophenyl)methylidene]-2,4,5,7-tetranitrofluorene
CID 2775540
(9E)-9-[(4-chlorophenyl)methylidene]-2,4,7-trinitrofluorene
CID 5285985
2,7-dinitro-9-[(4-propoxyphenyl)methylidene]fluorene
CID 4650397
2-[(4-methoxyphenyl)methylidene]-5-[(3-nitrophenyl)methylidene]cyclopentan-1-one
CID 71899687
6-methoxy-2-[(4-nitrophenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 756883
(2Z)-6-methoxy-2-[(4-nitrophenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 2054596
1-[2-(4-methoxyphenyl)ethenyl]-3-[2-(4-nitrophenyl)ethenyl]benzene
CID 67928044
N-(2-methoxyphenyl)-2,4,5,7-tetranitrofluoren-9-imine
CID 59920571
4-methoxy-2-(5-methoxy-2-nitrophenyl)-1-nitrobenzene
CID 12582438
1-(4-methoxyphenyl)-N-[3-[(4-methoxyphenyl)methylideneamino]-2-methyl-5-nitrophenyl]methanimine
CID 56694143
(4-formylphenyl) 2,5,7-trinitro-9-oxofluorene-4-carboxylate
CID 101368303

Frequently Asked Questions

What is the IUPAC name of 9-[(4-methoxyphenyl)methylidene]-2,4,5,7-tetranitrofluorene?
The IUPAC name of 9-[(4-methoxyphenyl)methylidene]-2,4,5,7-tetranitrofluorene (CID 2775527) is 9-[(4-methoxyphenyl)methylidene]-2,4,5,7-tetranitrofluorene.
What is the SMILES notation for 9-[(4-methoxyphenyl)methylidene]-2,4,5,7-tetranitrofluorene?
The canonical SMILES for 9-[(4-methoxyphenyl)methylidene]-2,4,5,7-tetranitrofluorene is COc1ccc(C=C2c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])cc1.
What is the InChIKey of 9-[(4-methoxyphenyl)methylidene]-2,4,5,7-tetranitrofluorene?
The InChIKey is MXXSUVHJNGTHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12N4O9/c1-34-14-4-2-11(3-5-14)6-15-16-7-12(22(26)27)9-18(24(30)31)20(16)21-17(15)8-13(23(28)29)10-19(21)25(32)33/h2-10H,1H3.
What are the key properties of 9-[(4-methoxyphenyl)methylidene]-2,4,5,7-tetranitrofluorene?
9-[(4-methoxyphenyl)methylidene]-2,4,5,7-tetranitrofluorene has a molecular weight of 464.35 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-methoxyphenyl)methylidene]-2,4,5,7-tetranitrofluorene is sourced from PubChem (CID 2775527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).